(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C21H15N5O3 MolecularWeight: 385.3755

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2=NNC(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2=NNC(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C21H15N5O3/c1-13-17(11-22)18(26(25-13)14-7-3-2-4-8-14)12-29-21(28)19-15-9-5-6-10-16(15)20(27)24-23-19/h2-10H,12H2,1H3,(H,24,27)